Monomer description
REFMAC5 requires a complete chemical description of all monomers (any molecular entity) present in the input coordinate file
About 2000 common monomers are already present ($CLIBD_MON = $CCP4/lib/data/monomers)
- Monomer and atoms identifier
- Element symbol
- Energy type
- Partial charge
- Covalent bonds (target values and SDs)
- Torsion angles (target values and SDs)
- Chiral centers
- Planes